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00009 #ifndef _PLANE_H_
00010 #define _PLANE_H_
00011
00012
00013
00014 #include "charm++.h"
00015 #include "../../include/debug_flags.h"
00016 #include "ckmulticast.h"
00017 #include "RTH.h"
00018 #include "StructFactorCache.h"
00019 #include "StructureFactor.h"
00020 void getSplitDecomp(int *,int *,int *,int , int ,int );
00021
00022
00023
00024
00025
00026
00027
00028 class ProductMsg : public CkMcastBaseMsg, public CMessage_ProductMsg {
00029 public:
00030 int datalen, hops;
00031 int subplane;
00032 double *data;
00033 int idx;
00034 };
00035
00036
00037
00038
00039 class CompAtmForcMsg: public CkMcastBaseMsg, public CMessage_CompAtmForcMsg {
00040 public:
00041 int nZmat;
00042 int iterNL;
00043 double *zmat;
00044 void init(int _nzmat, double *_zmat, int _iterNL)
00045 {
00046 nZmat = _nzmat;
00047 iterNL = _iterNL;
00048 CmiMemcpy(zmat, _zmat, sizeof(double)* nZmat);
00049 }
00050 friend class CMessage_CompAtmForcMsg;
00051 };
00052
00053
00054
00055
00056
00057 class NLDummyMsg: public CMessage_NLDummyMsg {
00058 public:
00059 int iteration;
00060 };
00061
00062
00063
00064
00065
00066
00067 class GHartDummyMsg: public CMessage_GHartDummyMsg {
00068 };
00069
00070
00071
00072
00073
00074
00075 class EnlCookieMsg : public CkMcastBaseMsg, public CMessage_EnlCookieMsg {
00076 public:
00077 int foo;
00078 };
00079
00080
00081
00082
00083
00084
00085 class RSDummyResume: public CMessage_RSDummyResume {
00086 };
00087
00088
00089
00090
00091
00092
00093 class GSAtmMsg: public CMessage_GSAtmMsg {
00094 };
00095
00096
00097
00098
00099
00100
00101 class TMsg: public CMessage_TMsg {
00102 public:
00103 int datalen;
00104 complex *data;
00105 };
00106
00107
00108
00109
00110
00111
00112 class GSIFFTMsg: public CMessage_GSIFFTMsg {
00113 public:
00114 int size;
00115 int offset;
00116 complex *data;
00117 };
00118
00119
00120
00121
00122
00123
00124 class GSPPIFFTMsg: public CMessage_GSPPIFFTMsg {
00125 public:
00126 int size;
00127 int offset;
00128 int iterNL;
00129 complex *data;
00130 };
00131
00132
00133
00134
00135
00136
00137 class RhoGSFFTMsg: public CMessage_RhoGSFFTMsg {
00138 public:
00139 int size;
00140 int offset;
00141 int offsetGx;
00142 int iopt;
00143 int num;
00144 complex *data;
00145 };
00146
00147
00148
00149
00150
00151 class RhoGHartMsg: public CMessage_RhoGHartMsg {
00152 public:
00153 int size;
00154 int senderIndex;
00155 int offset;
00156 int offsetGx;
00157 int iter;
00158 int iopt;
00159 int num;
00160 complex *data;
00161 };
00162
00163
00164
00165
00166
00167 class RhoRHartMsg: public CMessage_RhoRHartMsg {
00168 public:
00169 int size;
00170 int senderIndex;
00171 int iopt;
00172 int iter;
00173 complex *data;
00174 };
00175
00176
00177
00178
00179
00180
00181
00182 class NLFFTMsg: public CMessage_NLFFTMsg {
00183 public:
00184 int size;
00185 int senderIndex;
00186 int step;
00187 complex *data;
00188 };
00189
00190
00191
00192
00193
00194
00195
00196
00197 class RhoRSFFTMsg: public CMessage_RhoRSFFTMsg {
00198 public:
00199 int size;
00200 int senderIndex;
00201 int iopt;
00202 complex *data;
00203 };
00204
00205
00206
00207
00208
00209 class RhoHartRSFFTMsg: public CMessage_RhoHartRSFFTMsg {
00210 public:
00211 int size;
00212 int index;
00213 int senderBigIndex;
00214 int senderStrtLine;
00215 int iopt;
00216 complex *data;
00217 };
00218
00219
00220
00221
00222
00223 class GSRedPsiMsg: public CMessage_GSRedPsiMsg {
00224 public:
00225 int size;
00226 int senderIndex;
00227 complex *data;
00228 };
00229
00230
00231
00232
00233
00234
00235
00236 class RSFFTMsg: public CMessage_RSFFTMsg {
00237 public:
00238 int size;
00239 int senderIndex;
00240 int numPlanes;
00241 complex *data;
00242 };
00243
00244
00245
00246
00247
00248 class RPPPFFTMsg: public CMessage_RPPPFFTMsg {
00249 public:
00250 int size;
00251 int senderIndex;
00252 int numPlanes;
00253 complex *data;
00254 };
00255
00256
00257
00258
00259
00260
00261 class GStateOutMsg: public CMessage_GStateOutMsg {
00262 public:
00263 int size;
00264 int senderIndex;
00265 complex *data;
00266 complex *vdata;
00267 int *k_x;
00268 int *k_y;
00269 int *k_z;
00270 };
00271
00272
00273
00274
00275
00276
00277 class CP_State_GSpacePlane: public CBase_CP_State_GSpacePlane {
00278 public:
00279 int halfStepEvolve;
00280 int redPlane;
00281 int registrationFlag;
00282 int istate_ind;
00283 int iplane_ind;
00284 int first_step;
00285 int iwrite_now;
00286 int iteration;
00287 int nrotation;
00288 int myatom_integrate_flag;
00289 int myenergy_reduc_flag;
00290 int exitFlag;
00291 int iRecvRedPsi;
00292 int iRecvRedPsiV;
00293 int iSentRedPsi;
00294 int iSentRedPsiV;
00295 int finishedCpIntegrate;
00296 int isuspend_energy;
00297 int isuspend_atms;
00298 int numChunks;
00299 int ees_nonlocal;
00300 int cleanExitCalled;
00301 int isuspendNLForces;
00302 int numRecvRedPsi;
00303 int iterRotation;
00304 double ake_old;
00305 bool acceptedVPsi;
00306 bool doneDoingIFFT;
00307 bool triggerNL;
00308 bool NLready;
00309 friend class CP_State_ParticlePlane;
00310 CP_State_GSpacePlane(int, size2d, int, int, int, int,int,int);
00311 CP_State_GSpacePlane(CkMigrateMessage *m);
00312 ~CP_State_GSpacePlane();
00313 void pup(PUP::er &);
00314 void initGSpace(int, complex *,int ,complex *,
00315 int,int,int,int,int,int,int);
00316 void startNLEes(bool,int);
00317 void launchAtoms();
00318 void launchOrthoT();
00319 void syncpsi();
00320 void requirePsiV();
00321 void doFFT();
00322 void startNewIter ();
00323 void sendPsi();
00324 void sendPsiV();
00325 void screenOutputPsi();
00326 void sendLambda();
00327 void makePCproxies();
00328 void doneRedPsiIntegrate();
00329 void sendRedPsi();
00330 void combineForcesGetEke();
00331 void integrateModForce();
00332 void writeStateDumpFile();
00333 void isAtSync(int);
00334 void ResumeFromSync();
00335 bool weneedPsiV();
00336 void acceptNLForces ();
00337 void acceptNLForcesEes();
00338 bool doneNLForces();
00339 bool allDoneIFFT() {return allgdoneifft;}
00340 void doIFFT(GSIFFTMsg *);
00341 void acceptAtoms(GSAtmMsg *msg);
00342 void acceptEnergy(GSAtmMsg *msg);
00343 void gdoneIFFT(CkReductionMsg *msg);
00344 void gdonePsiV(CkReductionMsg *msg);
00345 void gdonePsi(CkReductionMsg *msg);
00346 bool allAcceptedPsiDone(){return(allAcceptedPsi);}
00347 void resumePsiV (CkReductionMsg *msg);
00348 void psiWriteComplete(CkReductionMsg *msg);
00349 void releaseSFComputeZ();
00350 void acceptNewPsi(CkReductionMsg *msg);
00351 void acceptNewPsi(partialResultMsg *msg);
00352 void doNewPsi();
00353 void collectFileOutput(GStateOutMsg *msg);
00354 void acceptNewPsiV(CkReductionMsg *msg);
00355 void acceptNewPsiV(partialResultMsg *msg);
00356 void doNewPsiV();
00357 void acceptAllLambda(CkReductionMsg *msg);
00358 void psiCgOvlap(CkReductionMsg *msg);
00359 void acceptLambda(CkReductionMsg *msg);
00360 void acceptLambda(partialResultMsg *msg);
00361 void doLambda();
00362 void acceptRedPsi(GSRedPsiMsg *msg);
00363 void computeCgOverlap();
00364 void run ();
00365 void sendFFTData ();
00366 void doIFFT ();
00367 void readFile();
00368 void computeEnergies(int p, double d);
00369 void startFFT(CkReductionMsg *msg);
00370 void sendRedPsiV();
00371 void acceptRedPsiV(GSRedPsiMsg *msg);
00372 void doneRedPsiVIntegrate();
00373 private:
00374 int forwardTimeKeep;
00375 int backwardTimeKeep;
00376 int ireset_cg;
00377 int numReset_cg;
00378 int istart_typ_cp;
00379 int countIFFT;
00380 int countFileOut;
00381 int countRedPsi;
00382 int countRedPsiV;
00383 int ecount;
00384 int countPsi;
00385 int countVPsi;
00386 int countLambda;
00387 int *countPsiO;
00388 int *countVPsiO;
00389 int *countLambdaO;
00390 int AllPsiExpected;
00391 int AllLambdaExpected;
00392 int itemp;
00393 int jtemp;
00394 bool needPsiV;
00395 bool allgdoneifft;
00396 bool initialized;
00397 bool allAcceptedPsi;
00398 bool acceptedPsi;
00399 bool allAcceptedVPsi;
00400 bool doneNewIter;
00401 bool acceptedLambda;
00402 double ehart_total;
00403 double enl_total;
00404 double eke_total;
00405 double fictEke_total;
00406 double fmagPsi_total;
00407 double fmagPsi_total_old;
00408 double fmagPsi_total0;
00409 double fovlap;
00410 double fovlap_old;
00411 double egga_total;
00412 double eexc_total;
00413 double eext_total;
00414 double ewd_total;
00415 double total_energy;
00416 double cpuTimeNow;
00417 int gSpaceNumPoints;
00418 GStateSlab gs;
00419 int *tk_x,*tk_y,*tk_z;
00420 complex *tpsi;
00421 complex *tvpsi;
00422 CProxy_CP_State_RealSpacePlane real_proxy;
00423 CProxySection_StructureFactor sfCompSectionProxy;
00424 CProxySection_PairCalculator *lambdaproxy;
00425 CProxySection_PairCalculator *lambdaproxyother;
00426 CProxySection_PairCalculator *psiproxy;
00427 CProxySection_PairCalculator *psiproxyother;
00428 PairCalcID gpairCalcID1;
00429 PairCalcID gpairCalcID2;
00430
00431 RTH_Runtime* run_thread;
00432 #ifdef _CP_GS_DEBUG_COMPARE_VKS_
00433 complex *savedvksBf;
00434 complex *savedforceBf;
00435 #endif
00436 #ifdef _CP_GS_DEBUG_COMPARE_PSI_
00437
00438 complex *savedpsiBfp;
00439 complex *savedpsiBf;
00440 complex *savedpsiAf;
00441 complex *savedlambdaBf;
00442 complex *savedlambdaAf;
00443 #endif
00444
00445 };
00446
00447
00448
00449
00450
00451
00452 class CP_State_RealSpacePlane : public CBase_CP_State_RealSpacePlane {
00453 public:
00454 CP_State_RealSpacePlane(size2d, int, int,int,int,int,int,int);
00455 CP_State_RealSpacePlane(CkMigrateMessage *m) {};
00456 ~CP_State_RealSpacePlane() { if(cookie!=NULL) delete [] cookie; };
00457 void doFFT(RSFFTMsg *);
00458 void doFFT();
00459 void doVksFFT();
00460 void doProduct(ProductMsg *);
00461 void doProductThenFFT();
00462 void sendFPsiToGSP();
00463 void run();
00464 void setNumPlanesToExpect(int num);
00465 void printData();
00466 void init(ProductMsg *);
00467 void doReduction();
00468 void ResumeFromSync();
00469 void pup(PUP::er &);
00470 void rdoneVks(CkReductionMsg *msg);
00471 bool allVksDone()
00472 {
00473 return vksDone;
00474 }
00475 private:
00476 int forwardTimeKeep;
00477 int backwardTimeKeep;
00478 int iplane_ind;
00479 int iteration;
00480 int rhoRsubplanes;
00481 int ngrida;
00482 int ngridb;
00483 int ngridc;
00484 int count;
00485 int rsize;
00486 int csize;
00487 int countProduct;
00488 int numCookies;
00489 bool vksDone;
00490 RealStateSlab rs;
00491 CkSectionInfo *cookie;
00492 CProxy_CP_State_GSpacePlane gproxy;
00493 RTH_Runtime* run_thread;
00494 };
00495
00496
00497
00498
00499
00500
00501 class CP_Rho_RealSpacePlane : public CBase_CP_Rho_RealSpacePlane {
00502 public:
00503 int listSubFlag;
00504 int cp_grad_corr_on;
00505 int ees_eext_on;
00506 int nplane_rho_x;
00507 int ngridcEext;
00508 int ngrida;
00509 int ngridb;
00510 int ngridc;
00511 int iplane_ind;
00512 int myNgridb;
00513 int myNplane_rho;
00514 int nptsExpndA;
00515 int nptsExpndB;
00516 int nptsA;
00517 int nptsB;
00518 int myBoff;
00519 int myAoff;
00520 int countDebug;
00521 int countFFTRyToGy;
00522 int rhoRsubplanes;
00523 int myTime;
00524 bool doneRhoReal;
00525 bool doneRHart;
00526 int recvCountFromGRho;
00527 int recvCountFromGHartExt;
00528 CP_Rho_RealSpacePlane(CkMigrateMessage *m){}
00529 CP_Rho_RealSpacePlane(int, size2d, bool,int,int,int);
00530 void init();
00531 ~CP_Rho_RealSpacePlane();
00532 void pup(PUP::er &);
00533 void acceptDensity(CkReductionMsg *);
00534 void launchEextRNlG();
00535 void energyComputation();
00536 void fftRhoRtoRhoG();
00537 void launchNLRealFFT();
00538 void sendPartlyFFTRyToGy(int iopt);
00539 void acceptRhoGradVksRyToGy(RhoGSFFTMsg *msg);
00540 void fftRhoRyToGy(int iopt);
00541 void sendPartlyFFTtoRhoG(int );
00542 void acceptGradRhoVks(RhoRSFFTMsg *);
00543 void sendPartlyFFTGxToRx(int );
00544 void acceptRhoGradVksGxToRx(RhoGSFFTMsg *msg);
00545 void GradCorr();
00546 void whiteByrdFFT();
00547 void acceptWhiteByrd(RhoRSFFTMsg *msg);
00548 void addWhiteByrdVks();
00549 void acceptHartVks(RhoHartRSFFTMsg *);
00550 void addHartEextVks();
00551 void RHartReport();
00552 void doMulticastCheck();
00553 void doMulticast();
00554 void exitForDebugging();
00555 void isAtSync(int iter){AtSync();};
00556 void ResumeFromSync();
00557 void sendPartlyFFTtoRhoGall();
00558 void acceptGradRhoVksAll(RhoRSFFTMsg *msg);
00559 private:
00560 int rhoKeeperId;
00561 int rhoGHelpers;
00562 int countGradVks[5];
00563 int countIntRtoG[5];
00564 int countIntGtoR[5];
00565 int countWhiteByrd;
00566 int countRHart;
00567 int countRHartValue;
00568 int doneGradRhoVks;
00569 bool doneWhiteByrd;
00570 bool doneHartVks;
00571 double FFTscale;
00572 double volumeFactor;
00573 double probScale;
00574 RhoRealSlab rho_rs;
00575
00576 CProxySection_CP_State_RealSpacePlane realSpaceSectionProxy;
00577 CProxySection_CP_State_RealSpacePlane realSpaceSectionCProxy;
00578 CProxy_CP_Rho_GSpacePlane rhoGProxy_com;
00579 CProxy_CP_Rho_GSpacePlane rhoGProxyIGX_com;
00580 CProxy_CP_Rho_GSpacePlane rhoGProxyIGY_com;
00581 CProxy_CP_Rho_GSpacePlane rhoGProxyIGZ_com;
00582 RTH_Runtime* run_thread;
00583 };
00584
00585
00586
00587
00588
00589
00590 class CP_Rho_GSpacePlane: public CBase_CP_Rho_GSpacePlane {
00591 public:
00592 CP_Rho_GSpacePlane(CkMigrateMessage *m) {}
00593 CP_Rho_GSpacePlane(int, size2d, int, int, bool);
00594 ~CP_Rho_GSpacePlane();
00595 void run();
00596 void init();
00597 void acceptRhoData(RhoGSFFTMsg *msg);
00598 void acceptRhoData();
00599 void ResumeFromSync();
00600 void divRhoVksGspace();
00601 void RhoGSendRhoR(int );
00602 void acceptWhiteByrd(RhoGSFFTMsg *);
00603 void acceptWhiteByrd();
00604 void pup(PUP::er &p);
00605 void isAtSync(int iter){AtSync();};
00606 int cp_grad_corr_on;
00607 int ees_eext_on;
00608 int ngridcEext;
00609 int rhoRsubplanes;
00610 int countDebug;
00611 void exitForDebugging();
00612 void acceptWhiteByrdAll(RhoGSFFTMsg *msg);
00613 void RhoGSendRhoRall();
00614 void launchNlG();
00615 private:
00616 CProxySection_CP_State_GSpacePlane nlsectproxy;
00617 int myTime;
00618 int recvCountFromRRho;
00619 int nPacked;
00620 int count_stuff;
00621 int count;
00622 int countWhiteByrd[4];
00623 int doneWhiteByrd;
00624 int rhoGHelpers;
00625 int iplane_ind;
00626 int *numSplit;
00627 int *istrtSplit;
00628 int *iendSplit;
00629 RhoGSlab rho_gs;
00630 CProxy_CP_Rho_RealSpacePlane rhoRealProxy0_com;
00631 CProxy_CP_Rho_RealSpacePlane rhoRealProxy1_com;
00632 CProxy_CP_Rho_RealSpacePlane rhoRealProxy2_com;
00633 CProxy_CP_Rho_RealSpacePlane rhoRealProxy3_com;
00634 CProxy_CP_Rho_RealSpacePlane rhoRealProxyByrd_com;
00635 };
00636
00637
00638
00639
00640
00641
00642 class CP_Rho_RHartExt: public CBase_CP_Rho_RHartExt {
00643 public:
00644 int listSubFlag;
00645 int nplane_rho_x;
00646 int rhoRsubplanes;
00647 int registrationFlag;
00648 int launchFlag;
00649 int ngrida;
00650 int ngridb;
00651 int ngridc;
00652 int iplane_ind;
00653 int ees_eext_on;
00654 int natmTyp;
00655 int countFFT[2];
00656 int countIntRtoG;
00657 int countIntGtoR[2];
00658 int iteration;
00659 int iterAtmTyp;
00660 int csize;
00661 int nAtmTypRecv;
00662 int csizeInt;
00663 int myNgridb;
00664 int myBoff;
00665 int nptsB;
00666 int nptsExpndB;
00667 int myNplane_rho;
00668 int myAoff;
00669 int nptsA;
00670 int nptsExpndA;
00671 int countDebug;
00672 int recvCountFromGHartExt;
00673 int nchareHartAtmT;
00674 int natmTypTot;
00675 int atmTypoff;
00676
00677 complex *atmSFC;
00678 double *atmSFR;
00679 complex *atmForcC;
00680 double *atmForcR;
00681
00682 complex *atmEwdSFC;
00683 double *atmEwdSFR;
00684 complex *atmEwdForcC;
00685 double *atmEwdForcR;
00686
00687 complex *atmSFCint;
00688 double *atmSFRint;
00689 complex *atmForcCint;
00690 double *atmForcRint;
00691
00692 complex *atmEwdSFCint;
00693 double *atmEwdSFRint;
00694 complex *atmEwdForcCint;
00695 double *atmEwdForcRint;
00696
00697 CProxy_CP_Rho_GHartExt rhoGHartProxy_com;
00698 CP_Rho_RHartExt(CkMigrateMessage *m) {}
00699 CP_Rho_RHartExt(int , int , int , int , int );
00700 ~CP_Rho_RHartExt();
00701 void init();
00702 void pup(PUP::er &p);
00703 void startEextIter();
00704 void computeAtmSF();
00705 void registrationDone(CkReductionMsg *msg);
00706 void fftAtmSfRtoG();
00707 void sendAtmSfRyToGy();
00708 void recvAtmSfRyToGy(RhoGHartMsg *msg);
00709 void sendAtmSfRhoGHart();
00710 void recvAtmForcFromRhoGHart(RhoRHartMsg *msg);
00711 void fftAtmForcGtoR(int flagEwd);
00712 void sendAtmForcGxToRx(int iopt);
00713 void recvAtmForcGxToRx(RhoGHartMsg *msg);
00714 void computeAtmForc(int);
00715 void exitForDebugging();
00716 };
00717
00718
00719
00720
00721
00722 class CP_Rho_GHartExt: public CBase_CP_Rho_GHartExt {
00723 public:
00724 CP_Rho_GHartExt(CkMigrateMessage *m) {}
00725 CP_Rho_GHartExt(size2d,int , int , int , int ,int );
00726 void init();
00727 ~CP_Rho_GHartExt();
00728 void pup(PUP::er &);
00729 void acceptData(RhoGHartMsg *msg);
00730 void HartExtVksG();
00731 void FFTVks();
00732 void sendVks();
00733 void acceptVks(int size, complex * inVks);
00734 void acceptAtmSFTot(int size, complex * inAtm);
00735 void recvAtmSFFromRhoRHart(RhoGHartMsg *msg);
00736 void FFTEesBck();
00737 void getHartEextEes();
00738 void FFTEesFwd(int );
00739 void sendAtmSF(int );
00740 void isAtSync(int iter){AtSync();};
00741 int rhoRsubplanes;
00742 int ngridaEext;
00743 int ngridbEext;
00744 int ngridcEext;
00745 int ees_eext_on;
00746 int natmTyp;
00747 int iterAtmTyp;
00748 int nsendAtmTyp;
00749 int numFullEext;
00750 int registrationFlag;
00751 int launchFlag;
00752 int CountDebug;
00753 complex *atmSF;
00754 complex *atmSFtot;
00755 double ehart_ret;
00756 double eext_ret;
00757 double ewd_ret;
00758 void registrationDone(CkReductionMsg *msg);
00759 void exitForDebugging();
00760 private:
00761 complex *atmSFtotRecv;
00762 complex *VksRecv;
00763 int countAtmSFtot;
00764 int countVksTot;
00765 int nchareHartAtmT;
00766 int natmTypTot;
00767 int atmTypoff;
00768 int recvCountFromRHartExt;
00769 RhoGSlab rho_gs;
00770 int atmSFHere;
00771 int densityHere;
00772 int countEextFFT;
00773 int iopt;
00774 int iteration;
00775 int ind_x;
00776 int ind_xdiv;
00777 int ind_xrem;
00778 int rhoGHelpers;
00779 int istrt_lines;
00780 int iend_lines;
00781 int numLines;
00782 CProxy_CP_Rho_RealSpacePlane rhoRealProxy_com;
00783 CProxy_CP_Rho_RHartExt rhoRHartProxy_com0;
00784 CProxy_CP_Rho_RHartExt rhoRHartProxy_com1;
00785 int **index_pack_tran;
00786 };
00787
00788
00789
00790
00791
00792
00793 class CP_State_ParticlePlane: public CBase_CP_State_ParticlePlane {
00794 public:
00795 CP_State_ParticlePlane(CkMigrateMessage *m) {}
00796 CP_State_ParticlePlane(int ,int ,int ,int ,int ,int ,int ,int ,int ,int ,
00797 int ,int ,int ,int ,int );
00798 ~CP_State_ParticlePlane();
00799 void pup(PUP::er &);
00800 void startNLEes(int);
00801 void lPrioStartNLEes(NLDummyMsg *m);
00802 void computeZ(PPDummyMsg *m);
00803 void setEnlCookie(EnlCookieMsg *m);
00804 void ResumeFromSync();
00805 void reduceZ(int, int, complex *,complex *,complex *,complex *);
00806 void getForces(int, int, complex *);
00807
00808 void createNLEesFFTdata();
00809 void FFTNLEesFwd();
00810 void sendToEesRPP();
00811 void recvFromEesRPP(GSPPIFFTMsg *msg);
00812 void FFTNLEesBck();
00813 void computeNLEesForces();
00814 void registrationDone(CkReductionMsg *msg);
00815
00816 friend class CP_State_GSpacePlane;
00817 int myChareG;
00818 int iteration;
00819 int iterNL;
00820 int numNLiter;
00821 int ees_nonlocal;
00822 int ngridaNL;
00823 int ngridbNL;
00824 int ngridcNL;
00825 int gSpaceNumPoints;
00826 int numLines;
00827 int numFullNL;
00828 int natm_nl;
00829 int natm_nl_grp_max;
00830 int numSfGrps;
00831 int nstates;
00832 int nchareG;
00833 int Gstates_per_pe;
00834 int countNLIFFT;
00835 int sendDone;
00836 int registrationFlag;
00837 private:
00838 int calcReductionPlaneNum(int);
00839 void initKVectors(GStateSlab *);
00840 bool doneGettingForces;
00841 complex *myForces, *gspace, *projPsiG;
00842 complex *zmatrixSum, *zmatrix;
00843 double *dyp_re,*dyp_im;
00844 double enl;
00845 double enl_total;
00846 double totalEnergy;
00847 int *haveSFAtmGrp;
00848 int *count;
00849 int doneEnl;
00850 int doneForces;
00851 int zsize, energy_count;
00852 int sizeX, sizeY, sizeZ, gSpacePlanesPerChare;
00853 int reductionPlaneNum;
00854 complex *zmatrix_fx,*zmatrix_fy,*zmatrix_fz;
00855 complex *zmatrixSum_fx,*zmatrixSum_fy,*zmatrixSum_fz;
00856 CkSectionInfo enlCookie;
00857 CProxySection_CP_State_ParticlePlane particlePlaneENLProxy;
00858 CProxy_CP_State_RealParticlePlane realPP_proxy;
00859 #ifdef _CP_GS_DEBUG_COMPARE_VKS_
00860 complex *savedprojpsiBf;
00861 complex *savedprojpsiBfsend;
00862 complex *savedprojpsiGBf;
00863 #endif
00864
00865 public:
00866 };
00867
00868
00869
00870
00871
00872
00873 class CP_State_RealParticlePlane: public CBase_CP_State_RealParticlePlane {
00874 public:
00875
00876 int ees_nonlocal;
00877 int nChareR;
00878 int nChareG;
00879 int Rstates_per_pe;
00880 int myPlane;
00881
00882 int rhoRTime;
00883 int numIterNl;
00884 int countZ;
00885 int countEnl;
00886 int count;
00887 int iterNL;
00888 int itime;
00889 int recvBlock;
00890
00891 int ngridA;
00892 int ngridB;
00893 int ngridC;
00894 int planeSize;
00895 int planeSizeT;
00896 int csize;
00897 int zmatSizeMax;
00898 int reductionPlaneNum;
00899 int itimeRed;
00900
00901 int registrationFlag;
00902
00903 bool launchFFT;
00904 bool fftDataDone;
00905
00906 double cp_enl;
00907 double cp_enlTot;
00908 double *projPsiR;
00909 double *zmat;
00910 double *zmatScr;
00911 complex *projPsiC;
00912
00913
00914
00915
00916 CProxySection_CP_State_RealParticlePlane rPlaneSectProxy;
00917 CProxySection_CP_State_RealParticlePlane rPlaneENLProxy;
00918 CkSectionInfo rPlaneRedCookie;
00919 CkSectionInfo rEnlCookie;
00920 CProxy_CP_State_ParticlePlane gPP_proxy;
00921 #ifdef _CP_GS_DEBUG_COMPARE_VKS_
00922 complex *savedprojpsiC;
00923 complex *savedProjpsiCScr;
00924 double *savedProjpsiRScr;
00925 double *savedzmat;
00926 double **savedmn;
00927 double **saveddmn_x;
00928 double **saveddmn_y;
00929 double **saveddmn_z;
00930 int **savedigrid;
00931
00932 #endif
00933
00934
00935 CP_State_RealParticlePlane(CkMigrateMessage *m) {}
00936 CP_State_RealParticlePlane(int , int , int ,int , int ,int ,int,int);
00937 void init();
00938 ~CP_State_RealParticlePlane();
00939 void launchFFTControl(int );
00940 void pup(PUP::er &);
00941 void printEnlR(CkReductionMsg *m);
00942 void printEnlRSimp(double,int,int);
00943 void recvFromEesGPP(NLFFTMsg *);
00944 void FFTNLEesFwdR();
00945 void computeZmatEes();
00946 void recvZMatEes(CkReductionMsg *);
00947 void computeAtmForcEes(CompAtmForcMsg *msg);
00948 void FFTNLEesBckR();
00949 void sendToEesGPP();
00950 void setPlaneRedCookie(EnlCookieMsg *);
00951 void setEnlCookie(EnlCookieMsg *);
00952 int calcReductionPlaneNum(int );
00953 void registrationDone(CkReductionMsg *msg);
00954 void recvZMatEesSimp(int , double *,int,int,int);
00955 };
00956
00957
00958
00959
00960 #endif // #ifndef _PLANE_H_
00961
00962
00963
00964
